3-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-(valerylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-3-4-11-19(24)22-17-9-6-10-18(13-17)28-14(2)20(25)23-16-8-5-7-15(12-16)21(26)27/h5-10,12-14H,3-4,11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)